Task 38682624

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7021_0
Workunit 31624227
Created 27 Oct 2026, 8:26:02 UTC
Sent 27 Oct 2026, 8:26:12 UTC
Report deadline 1 Nov 2026, 8:26:12 UTC
Received 27 Oct 2026, 10:04:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 50 min 7 sec
CPU time 45 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.75 MB
Peak swap size 5.43 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:15:49 (38872): wrapper (7.9.26016): starting
10:15:49 (38872): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
10:15:52 (38872): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:15:52 (38872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:03:51 (38872): C:/Windows/system32/cmd.exe exited; CPU time 2705.546875
11:03:51 (38872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 68755911 bytes.
Dumping objects ->
{3835437} normal block at 0x000001B71053ABE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001B71053A6A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001B71053AF60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x000001B710515490, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001B710515960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000001B7122F88F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835349} normal block at 0x000001B71050E240, 8 bytes long.
 Data: <  &#164; &#183;   > 00 00 A4 10 B7 01 00 00 
{3833967} normal block at 0x000001B71050E6A0, 8 bytes long.
 Data: <&#240;P8 &#183;   > F0 50 38 12 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001B710511F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B7105068D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001B7105166D0, 16 bytes long.
 Data: <8rQ &#183;           > 38 72 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B710516AE0, 16 bytes long.
 Data: < rQ &#183;           > 10 72 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B7105105D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001B710515F50, 16 bytes long.
 Data: <&#232;qQ &#183;           > E8 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B710516040, 16 bytes long.
 Data: <&#192;qQ &#183;           > C0 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B710516680, 16 bytes long.
 Data: < qQ &#183;           > 98 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B710516630, 16 bytes long.
 Data: <pqQ &#183;           > 70 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B7105157A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001B710516E00, 16 bytes long.
 Data: <X&#250;O &#183;           > 58 FA 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B71050FA90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001B710516130, 16 bytes long.
 Data: <0&#250;O &#183;           > 30 FA 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B710516C20, 16 bytes long.
 Data: < &#250;O &#183;           > 08 FA 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B710516DB0, 16 bytes long.
 Data: <&#224;&#249;O &#183;           > E0 F9 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B7105164A0, 16 bytes long.
 Data: <&#184;&#249;O &#183;           > B8 F9 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B710516A90, 16 bytes long.
 Data: < &#249;O &#183;           > 90 F9 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B710516B30, 16 bytes long.
 Data: <h&#249;O &#183;           > 68 F9 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B710510750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001B710516BD0, 16 bytes long.
 Data: <@&#249;O &#183;           > 40 F9 4F 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B7104FF940, 320 bytes long.
 Data: <&#208;kQ &#183;   P Q &#183;   > D0 6B 51 10 B7 01 00 00 50 07 51 10 B7 01 00 00 
{279} normal block at 0x000001B7105165E0, 16 bytes long.
 Data: <PqQ &#183;           > 50 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B710516A40, 16 bytes long.
 Data: <(qQ &#183;           > 28 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B71050FE50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001B710516950, 16 bytes long.
 Data: < qQ &#183;           > 00 71 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B71050FD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001B710516D60, 16 bytes long.
 Data: <HpQ &#183;           > 48 70 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B710516590, 16 bytes long.
 Data: < pQ &#183;           > 20 70 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B7105160E0, 16 bytes long.
 Data: <&#248;oQ &#183;           > F8 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B710516450, 16 bytes long.
 Data: <&#208;oQ &#183;           > D0 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B7105164F0, 16 bytes long.
 Data: <&#168;oQ &#183;           > A8 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B710515FF0, 16 bytes long.
 Data: < oQ &#183;           > 80 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B710516C70, 16 bytes long.
 Data: <0WQ &#183;           > 30 57 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B710515730, 40 bytes long.
 Data: <plQ &#183;   &#240; / &#183;   > 70 6C 51 10 B7 01 00 00 F0 88 2F 12 B7 01 00 00 
{265} normal block at 0x000001B710516360, 16 bytes long.
 Data: <`oQ &#183;           > 60 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B710516400, 16 bytes long.
 Data: <8oQ &#183;           > 38 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B710510150, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001B710516540, 16 bytes long.
 Data: < oQ &#183;           > 10 6F 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B710516F10, 992 bytes long.
 Data: <@eQ &#183;   P Q &#183;   > 40 65 51 10 B7 01 00 00 50 01 51 10 B7 01 00 00 
{97} normal block at 0x000001B7105102D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001B71050DC50, 16 bytes long.
 Data: <@ZQ &#183;           > 40 5A 51 10 B7 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001B710515A40, 40 bytes long.
 Data: <P&#220;P &#183;   &#208; Q &#183;   > 50 DC 50 10 B7 01 00 00 D0 02 51 10 B7 01 00 00 
{74} normal block at 0x000001B71050E4C0, 16 bytes long.
 Data: < &#234;&#133; &#247;           > 80 EA 85 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B71050E100, 16 bytes long.
 Data: <@&#233;&#133; &#247;           > 40 E9 85 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B71050E010, 16 bytes long.
 Data: <&#248;W&#130; &#247;           > F8 57 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B71050DFC0, 16 bytes long.
 Data: <&#216;W&#130; &#247;           > D8 57 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B71050D890, 16 bytes long.
 Data: <P &#130; &#247;           > 50 04 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B71050E150, 16 bytes long.
 Data: <0 &#130; &#247;           > 30 04 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B71050E560, 16 bytes long.
 Data: <&#224; &#130; &#247;           > E0 02 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B71050DA20, 16 bytes long.
 Data: <  &#130; &#247;           > 10 04 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B71050DF20, 16 bytes long.
 Data: <p &#130; &#247;           > 70 04 82 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B71050E1F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 80 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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